# 1 "/home/ucl/pp900/sfhmqcf2et.nuws.cw"
;sfhmqcf2et.nuws.cw
;1H,13C SOFAST HMQC
;phase sensitive using Echo/Anti-Echo (Hurd & John 1991)
; Modern Instrumental Analysis, edited by Satinder Ahuja, Neil Jespersen, p286
;with apodisation-weighted sampling
;with decoupling during acquisition
;
;set sampling schedule via vclist:
;  total number of scans = ns * c
;  add one to first point of vclist to allow for dummy scans
;
;modified Chris Waudby 10/10/16
;
;P.Schanda and B. Brutscher, J. Am. Chem. Soc. 127, 8014 (2005)
;
;$CLASS=HighRes
;$DIM=2D
;$TYPE=
;$SUBTYPE=
;$COMMENT=


prosol relations=<triple>
# 1 "/opt/topspin3.2.6/exp/stan/nmr/lists/pp/Avance.incl" 1
;Avance3.incl
;   for AV III
;
;avance-version (13/06/17)
;
;$CLASS=HighRes Incl
;$COMMENT=


# 169 "/opt/topspin3.2.6/exp/stan/nmr/lists/pp/Avance.incl"
;$Id: Avance3.incl,v 1.9.8.3 2013/08/30 09:44:49 ber Exp $
# 26 "/home/ucl/pp900/sfhmqcf2et.nuws.cw" 2

# 1 "/opt/topspin3.2.6/exp/stan/nmr/lists/pp/Grad.incl" 1
;Grad2.incl  -  include file for Gradient Spectroscopy
;   for TCU3
;
;avance-version (07/01/17)
;
;$CLASS=HighRes Incl
;$COMMENT=

# 27 "/opt/topspin3.2.6/exp/stan/nmr/lists/pp/Grad.incl"
define list<gradient> EA=<EA>


# 31 "/opt/topspin3.2.6/exp/stan/nmr/lists/pp/Grad.incl"
;$Id: Grad2.incl,v 1.13.8.1 2012/01/31 17:56:17 ber Exp $
# 27 "/home/ucl/pp900/sfhmqcf2et.nuws.cw" 2

# 1 "/opt/topspin3.2.6/exp/stan/nmr/lists/pp/Delay.incl" 1
;Delay.incl  -  include file for commonly used delays
;
;version (13/08/07)
;
;$CLASS=HighRes Incl
;$COMMENT=

# 9 "/opt/topspin3.2.6/exp/stan/nmr/lists/pp/Delay.incl"
;general delays

define delay DELTA
define delay DELTA1
define delay DELTA2
define delay DELTA3
define delay DELTA4
define delay DELTA5
define delay DELTA6
define delay DELTA7
define delay DELTA8
define delay DELTA9
define delay DELTA10
define delay DELTA11
define delay DELTA12
define delay DELTA13
define delay DELTA14
define delay DELTA15
define delay DELTA16

define delay TAU
define delay TAU1
define delay TAU2
define delay TAU3
define delay TAU4
define delay TAU5
define delay TAU6
define delay TAU7
define delay TAU8
define delay TAU9
# 40 "/opt/topspin3.2.6/exp/stan/nmr/lists/pp/Delay.incl"
define delay INCR1
define delay INCR2
define delay INCR3
define delay INCR4
define delay INCR5
define delay INCR6


;delays for centering pulses
# 50 "/opt/topspin3.2.6/exp/stan/nmr/lists/pp/Delay.incl"
define delay CEN_HN1
define delay CEN_HN2
define delay CEN_HN3
define delay CEN_HC1
define delay CEN_HC2
define delay CEN_HC3
define delay CEN_HC4
define delay CEN_HP1
define delay CEN_HP2
define delay CEN_CN1
define delay CEN_CN2
define delay CEN_CN3
define delay CEN_CN4
define delay CEN_CP1
define delay CEN_CP2


;loop counters
# 69 "/opt/topspin3.2.6/exp/stan/nmr/lists/pp/Delay.incl"
define loopcounter COUNTER
define loopcounter SCALEF
define loopcounter FACTOR1
define loopcounter FACTOR2
define loopcounter FACTOR3
define loopcounter FACTOR4
define loopcounter FACTOR5
define loopcounter FACTOR6


# 80 "/opt/topspin3.2.6/exp/stan/nmr/lists/pp/Delay.incl"
;$Id: Delay.incl,v 1.13.8.2 2013/08/30 09:44:49 ber Exp $
# 28 "/home/ucl/pp900/sfhmqcf2et.nuws.cw" 2


# 35 "/home/ucl/pp900/sfhmqcf2et.nuws.cw"
"d11=30m"
"d12=20u"
"d21=1s/(cnst2*2)"


"in0=inf1/2"
# 42 "/home/ucl/pp900/sfhmqcf2et.nuws.cw"
"d0=3u"

"DELTA=p3*0.6366+p17+d17-p40*0.5-d0"
"DELTA1=d21-p39*cnst39"
"DELTA2=d21-p17-d16-4u"
"acqt0=0"

# 50 "/home/ucl/pp900/sfhmqcf2et.nuws.cw"
"spoff23=bf1*(cnst19/1000000)-o1"
"spoff24=bf1*(cnst19/1000000)-o1"


# 1 "mc_line 54 file /home/ucl/pp900/sfhmqcf2et.nuws.cw exp. def. part of mc cmd. before ze"
define delay MCWRK
define delay MCREST
define loopcounter ST1CNT
"ST1CNT = td1 / 2"
"MCREST = d1 - d1"
"MCWRK = 0.200000*d1"

    dccorr
# 54 "/home/ucl/pp900/sfhmqcf2et.nuws.cw"
1 ze
# 1 "mc_line 54 file /home/ucl/pp900/sfhmqcf2et.nuws.cw exp. def. of mc cmd. after ze"
# 55 "/home/ucl/pp900/sfhmqcf2et.nuws.cw"
  d11 pl12:f2
# 1 "mc_line 56 file /home/ucl/pp900/sfhmqcf2et.nuws.cw exp. start label for mc cmd."
2 MCWRK  do:f2
LBLSTS1, MCWRK  * 3
LBLF1, MCWRK 
  MCREST
# 57 "/home/ucl/pp900/sfhmqcf2et.nuws.cw"
3 d12 pl2:f2
  50u setnmr3|0 setnmr0|34|32|33 ctrlgrad 0
# 60 "/home/ucl/pp900/sfhmqcf2et.nuws.cw"
  ; purge equilibrium 13C
  (p3 ph1):f2
  4u
  p16:gp3
  d16

  (p39:sp23 ph1):f1
  DELTA1

  (p3 ph3):f2
  p17:gp1
  d17
  (p4 ph2):f2
  DELTA
# 75 "/home/ucl/pp900/sfhmqcf2et.nuws.cw"
  d0
  (p40:sp24 ph1):f1
  d0

  DELTA
  (p4 ph1):f2
  p17:gp1
  d17
  (p3 ph4):f2

  DELTA2
  p17:gp2*EA
  d16 pl12:f2
  4u setnmr3^0 setnmr0^34^32^33 ctrlgrad 7
  go=2 ph31 cpd2:f2
# 98 "/home/ucl/pp900/sfhmqcf2et.nuws.cw"
# 99 "/home/ucl/pp900/sfhmqcf2et.nuws.cw"


# 1 "mc_line 101 file /home/ucl/pp900/sfhmqcf2et.nuws.cw exp. mc cmd. in line"
  MCWRK  do:f2 wr #0 if #0 zd igrad EA
  lo to LBLSTS1 times 2
  MCWRK id0  MCWRK  ip3*2  MCWRK  ip31*2
  lo to LBLF1 times ST1CNT
  MCWRK
# 103 "/home/ucl/pp900/sfhmqcf2et.nuws.cw"
exit
# 106 "/home/ucl/pp900/sfhmqcf2et.nuws.cw"
ph1=0
ph2=0 0 0 0 1 1 1 1 2 2 2 2 3 3 3 3
ph3=0 2
ph4=0 0 2 2
ph31=0 2 2 0 2 0 0 2


;pl2 : f2 channel - power level for pulse (default)
;pl12: f2 channel - power level for CPD/BB decoupling (low power)
;sp23: f1 channel - shaped pulse 120 degree
;                   (Pc9_4_120.1000 or Q5.1000)
;sp24: f1 channel - shaped pulse 180 degree (Rsnob.1000)
;p16: homospoil/gradient pulse                       [1 msec]
;p3:  f2 channel -  90 degree high power pulse
;p39: f1 channel - 120 degree shaped pulse for excitation
;                      Pc9_4_120.1000 (120o)    (3.0ms at 600.13 MHz)
;                  (or Q5.1000 (90o)            (2.0ms at 600.13 MHz) )
;p40: f1 channel - 180 degree shaped pulse for refocussing
;                      Rsnob.1000               (1.0ms at 600.13 MHz)
;d0 : incremented delay (2D) = in0/2-p3*4/3.1415
;d1 : relaxation delay
;d11: delay for disk I/O                             [30 msec]
;d12: delay for power switching                      [20 usec]
;d16: delay for homospoil/gradient recovery
;d21 : 1/(2J)NH
;cnst2: = J(CH) [125 Hz for methyls]
;cnst19: H(N) chemical shift (offset, in ppm)
;cnst39: compensation of chemical shift evolution during p39
;           Pc9_4_120.1000: 0.529
;           Q5.1000: -0.07
;inf1: 1/SW(C) = 2 * DW(C)
;in0: 1/ SW(C) = 2 * DW(C)
;nd0: 1
;NS: 4 * n
;DS: 16
;aq: <= 50 msec
;td1: number of experiments
;FnMODE: States-TPPI, TPPI, States or QSEC
;cpd2: decoupling according to sequence defined by cpdprg2: garp4
;pcpd2: f2 channel - 90 degree pulse for decoupling sequence
# 148 "/home/ucl/pp900/sfhmqcf2et.nuws.cw"
;use gradient ratio:	gp 1 : gp 2
;			  40 :    20.1


;for z-only gradients:
;gpz1: 40%
;gpz2: 20.1%
;gpz3: 31%
# 157 "/home/ucl/pp900/sfhmqcf2et.nuws.cw"
;use gradient files:
;gpnam1: SMSQ10.100
;gpnam2: SMSQ10.100


                                          ;preprocessor-flags-start
                                          ;preprocessor-flags-end
# 166 "/home/ucl/pp900/sfhmqcf2et.nuws.cw"
;Processing

;PHC0(F1): 0
;PHC1(F1): 0
;FCOR(F1): 0.5

# 174 "/home/ucl/pp900/sfhmqcf2et.nuws.cw"
;$Id: sfhmqcf3gpph,v 1.1.2.8 2009/11/18 11:19:58 ber Exp $
